spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione

C11H12O4 — CID 10242143

IUPACspiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione
SMILESO=C1CCC2(CC3=C(CCCC3=O)O2)O1
InChIInChI=1S/C11H12O4/c12-8-2-1-3-9-7(8)6-11(14-9)5-4-10(13)15-11/h1-6H2
InChIKeyXJQIMXKSULQQJT-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.45
Rot. Bonds

About spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione

spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione (PubChem CID 10242143) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione.

Molecular Properties

Compound Namespiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione
PubChem CID10242143
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namespiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione
SMILESO=C1CCC2(CC3=C(CCCC3=O)O2)O1
InChIInChI=1S/C11H12O4/c12-8-2-1-3-9-7(8)6-11(14-9)5-4-10(13)15-11/h1-6H2
InChIKeyXJQIMXKSULQQJT-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione?
The IUPAC name of spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione (CID 10242143) is spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione.
What is the SMILES notation for spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione?
The canonical SMILES for spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione is O=C1CCC2(CC3=C(CCCC3=O)O2)O1.
What is the InChIKey of spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione?
The InChIKey is XJQIMXKSULQQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-2-1-3-9-7(8)6-11(14-9)5-4-10(13)15-11/h1-6H2.
What are the key properties of spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione?
spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione has a molecular weight of 208.21 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,5,6,7-tetrahydro-1-benzofuran-2,5'-oxolane]-2',4-dione is sourced from PubChem (CID 10242143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).